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Record W4408308366 · doi:10.1155/jna/5518018

A Base Pair Outside the Catalytic Core of the I‐R3 DNA Enzyme Has a Significant Effect on Its Cleavage Activity: An Improved Catalytic Core Model and an Automated Design Program

2025· article· en· W4408308366 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueJournal of Nucleic Acids · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicDNA and Nucleic Acid Chemistry
Canadian institutionsDalhousie UniversityConcordia University
FundersConcordia University
KeywordsCore (optical fiber)Cleavage (geology)CatalysisDNAEnzymeComputer scienceCombinatorial chemistryComputational biologyChemistryBiologyBiochemistry

Abstract

fetched live from OpenAlex

The I‐R3 DNA enzyme, in its trans ‐acting form, is capable of cleaving single‐stranded DNA (ssDNA) molecules. We have collected all published information on the activity levels of the original I‐R3 DNA enzyme and its known variants and embedded that information into a program (we called IR3 ). The program was applied to the sequences of a set of ssDNA viruses and identified all potential catalytic core substrates (targets) and output optimal I‐R3 DNA enzyme sequences for all the targets, along with expected activity levels of the enzymes at those targets. Upon experimentally measuring the in vitro cleavage activities of the I‐R3 variants, we found marked differences between the program‐predicted and experimentally measured values. This demonstrated the incompleteness of the I‐R3 model: The sequence of the nucleotides of the catalytic core is not sufficient to fully determine its activity level. A set of experiments was carried out in which the effect of all possible combinations of Watson–Crick base pairs at two positions near the catalytic core, termed S I and S II , was tested. To confirm a newly formed hypothesis, the nucleotide at the S II position of the enzyme strand was mutated to a G and a T, with the substrate strand mutated accordingly. In every case, this led to an increase in relative activity when changed to a G and a decrease, when changed to a T, of the variant I‐R3 DNA enzyme. Clearly, the discovered base pair peripheral to the catalytic core has a substantial effect on cleavage activity. This improves the current model of essential nucleotides, and the IR3 software outputs I‐R3 enzyme‐sequence recommendations that make them more likely to cleave their targets. The software is available for download at https://github.com/XinxinTree/IR3.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.143
Threshold uncertainty score0.787

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.033
GPT teacher head0.301
Teacher spread0.268 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it